Products 136790-79-9

CAS 136790-79-9 is the registry number for Lubiprostone Impurity 7. Offered by: Chemat Brand. Available pack sizes: on request.

Lubiprostone Impurity 7
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

Benzyl (E)-7-[(1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoate (CAS 136790-79-9) is a chemical compound with the molecular formula C27H36F2O5 and a molecular weight of 478.6 g/mol. IUPAC name: benzyl (E)-7-[(1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoate. InChIKey: RWVCDFLDUAIJOY-LOYPZAONSA-N.

Identity
Molecular formulaC27H36F2O5
Molecular weight478.6 g/mol
IUPAC namebenzyl (E)-7-[(1R,2R,3R)-2-(4,4-difluoro-3-oxooctyl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoate
InChIKeyRWVCDFLDUAIJOY-LOYPZAONSA-N
SMILESCCCCC(C(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C/CCCC(=O)OCC2=CC=CC=C2)O)(F)F

Computed by PubChem (NCBI)

Isomers (same molecular formula)
[2-[(6S,8S,9S,10R,11R,12R,13S,14S,16R,17S)-6,12-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate C27H36F2O5
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate C27H36F2O5
benzyl (Z)-7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-5-yl]hept-5-enoate C27H36F2O5